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openmx-3.8.1 and the latest ELPA
Date: 2017/02/20 23:26
Name: marcindulak

We have problems building openmx against the latest elpa.
https://bugzilla.redhat.com/show_bug.cgi?id=1325933

elpa has changed the interface, moved several fortran modules around.
We use the following patches to be applied against openmx 3.8.1:

https://gist.github.com/marcindulak/b7ce5902a946b3d554edaa2c476140ae
https://gist.github.com/marcindulak/f54b81616c722c64a5b11cc0c64f9474

I'm not sure what is the right solution. elpa will probably continue making changes to their code, so maybe consider updating openmx to support the latest elpa at each release or patch of openmx?

Please answer directly at https://bugzilla.redhat.com/show_bug.cgi?id=1325933 or you can find our emails on the top right of that page under "CC List:". Let us know your opinion.
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Re: openmx-3.8.1 and the latest ELPA ( No.1 )
Date: 2017/03/02 22:53
Name: T. Ozaki

Hi,

If the new ELPA is substantially faster than the kernel of old ELPA
plugged in OpenMX, restructuring OpenMX looks interesting.
When we plugged the kernel of ELPA into OpenMX, we liked for general
users not to be bothered by the multi-step installation.
In order for OpenMX to be compatible with the conventional API
provided by ELPA, we need to touch considerable parts of OpenMX.

It would be nice for us to share benchmark results reporting recent
performance progress of ELPA if you have. Such a data may move us
towards restructuring of the OpenMX code.

Thank you very much for your suggestion.

Regards,

TO
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